ChemSpider 2D Image | (3aR,5R,6S,6aR)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-6-[(4-methoxybenzyl)oxy]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole | C20H28O7

(3aR,5R,6S,6aR)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-6-[(4-methoxybenzyl)oxy]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole

  • Molecular FormulaC20H28O7
  • Average mass380.432 Da
  • Monoisotopic mass380.183502 Da
  • ChemSpider ID22870993

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3aR,5R,6S,6aR)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-6-[(4-methoxybenzyl)oxy]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol [German] [ACD/IUPAC Name]
(3aR,5R,6S,6aR)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-6-[(4-methoxybenzyl)oxy]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole [ACD/IUPAC Name]
(3aR,5R,6S,6aR)-5-[(4R)-2,2-Diméthyl-1,3-dioxolan-4-yl]-6-[(4-méthoxybenzyl)oxy]-2,2-diméthyltétrahydrofuro[2,3-d][1,3]dioxole [French] [ACD/IUPAC Name]
(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
450369-37-6 [RN]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 456.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 68.9±3.0 kJ/mol
    Flash Point: 181.9±28.6 °C
    Index of Refraction: 1.544
    Molar Refractivity: 97.5±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.55
    ACD/LogD (pH 5.5): 3.43
    ACD/BCF (pH 5.5): 239.38
    ACD/KOC (pH 5.5): 1756.12
    ACD/LogD (pH 7.4): 3.43
    ACD/BCF (pH 7.4): 239.38
    ACD/KOC (pH 7.4): 1756.12
    Polar Surface Area: 65 Å2
    Polarizability: 38.7±0.5 10-24cm3
    Surface Tension: 44.7±5.0 dyne/cm
    Molar Volume: 309.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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